N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

C19H20N2O4 — CID 118986724

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2c(c1=O)CCCC2
InChIInChI=1S/C19H20N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,22)
InChIKeySWOGAOSLHAFHHE-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (PubChem CID 118986724) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
PubChem CID118986724
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2c(c1=O)CCCC2
InChIInChI=1S/C19H20N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,22)
InChIKeySWOGAOSLHAFHHE-UHFFFAOYSA-N
XLogP2.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568333
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249297
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28623021
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (CID 118986724) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2c(c1=O)CCCC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is SWOGAOSLHAFHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 118986724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).